Bioactive Compound Details

BioIDbio1572
NameRABDOCOETSIN C
ChEMBL IDCHEMBL517266
Molecular FormulaC20H28O5
Molecular Weight348.44
Molecular Weight (Monoisotopic)348.1937
TypeSmall molecule
Max Phase--
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsRabdocoetsin C
SmilesC=C1C(=O)[C@]23C[C@H]1C[C@H](O)[C@H]2[C@@]12CO[C@@]3(O)C[C@@H]1C(C)(C)CC[C@@H]2O
InchiInChI=1S/C20H28O5/c1-10-11-6-12(21)15-18-9-25-20(24,19(15,7-11)16(10)23)8-13(18)17(2,3)5-4-14(18)22/h11-15,21-22,24H,1,4-9H2,2-3H3/t11-,12+,13-,14+,15+,18+,19+,20+/m1/s1
Inchi KeyLHWIBAFYDZHDSL-TXWJGPDJSA-N
Molecular SpeciesNEUTRAL
Targets12.0
Bioactivities14.0
Np Likeness Score4.05
Records Key['3', '48']
Records Name['Rabdocoetsin C', 'Rabdocoetsin A']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure